N'-[2-(4-bromophenoxy)acetyl]-2-[3-(difluoromethoxy)phenyl]acetohydrazide

C17H15BrF2N2O4 — CID 86897323

IUPACN'-[2-(4-bromophenoxy)acetyl]-2-[3-(difluoromethoxy)phenyl]acetohydrazide
SMILESO=C(COc1ccc(Br)cc1)NNC(=O)Cc1cccc(OC(F)F)c1
InChIInChI=1S/C17H15BrF2N2O4/c18-12-4-6-13(7-5-12)25-10-16(24)22-21-15(23)9-11-2-1-3-14(8-11)26-17(19)20/h1-8,17H,9-10H2,(H,21,23)(H,22,24)
InChIKeyZNWFBSNJJMPBDV-UHFFFAOYSA-N
MW429.22 g/mol
LogP2.82
Rot. Bonds7

About N'-[2-(4-bromophenoxy)acetyl]-2-[3-(difluoromethoxy)phenyl]acetohydrazide

N'-[2-(4-bromophenoxy)acetyl]-2-[3-(difluoromethoxy)phenyl]acetohydrazide (PubChem CID 86897323) has the molecular formula C17H15BrF2N2O4 and a molecular weight of 429.22 g/mol. Its IUPAC name is N'-[2-(4-bromophenoxy)acetyl]-2-[3-(difluoromethoxy)phenyl]acetohydrazide.

Molecular Properties

Compound NameN'-[2-(4-bromophenoxy)acetyl]-2-[3-(difluoromethoxy)phenyl]acetohydrazide
PubChem CID86897323
Molecular FormulaC17H15BrF2N2O4
Molecular Weight429.22 g/mol
Exact Mass428.02
IUPAC NameN'-[2-(4-bromophenoxy)acetyl]-2-[3-(difluoromethoxy)phenyl]acetohydrazide
SMILESO=C(COc1ccc(Br)cc1)NNC(=O)Cc1cccc(OC(F)F)c1
InChIInChI=1S/C17H15BrF2N2O4/c18-12-4-6-13(7-5-12)25-10-16(24)22-21-15(23)9-11-2-1-3-14(8-11)26-17(19)20/h1-8,17H,9-10H2,(H,21,23)(H,22,24)
InChIKeyZNWFBSNJJMPBDV-UHFFFAOYSA-N
XLogP2.82
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.22
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(4-bromophenoxy)acetyl]-2-(2-fluorophenyl)acetohydrazide
CID 7809057
N'-[2-(4-ethylphenoxy)acetyl]-2-(3-methoxyphenyl)acetohydrazide
CID 2600997
2-(4-bromophenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
CID 17400822
4-bromo-N'-[2-(3-methoxyphenyl)acetyl]benzohydrazide
CID 26912197
N-[[[2-(4-bromophenoxy)acetyl]amino]carbamothioyl]-2-phenylacetamide
CID 4505092
2-(4-bromophenoxy)-N-(3-propan-2-yloxyphenyl)acetamide
CID 17154695
N'-(4-bromobenzoyl)-3-(difluoromethoxy)benzohydrazide
CID 7945561
N'-[2-(4-bromophenoxy)acetyl]-3-(2-methylpropoxy)benzohydrazide
CID 17140443
3-(difluoromethoxy)-N'-[2-(3,4-dimethylphenoxy)acetyl]benzohydrazide
CID 26846150
N-[4-[[2-(4-bromophenoxy)acetyl]amino]phenyl]-2-phenylacetamide
CID 1256496
2-(3-bromophenoxy)-N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]acetamide
CID 7937038
2-(4-bromophenoxy)-N-[(3-methylphenyl)methyl]acetamide
CID 38294492

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-bromophenoxy)acetyl]-2-[3-(difluoromethoxy)phenyl]acetohydrazide?
The IUPAC name of N'-[2-(4-bromophenoxy)acetyl]-2-[3-(difluoromethoxy)phenyl]acetohydrazide (CID 86897323) is N'-[2-(4-bromophenoxy)acetyl]-2-[3-(difluoromethoxy)phenyl]acetohydrazide.
What is the SMILES notation for N'-[2-(4-bromophenoxy)acetyl]-2-[3-(difluoromethoxy)phenyl]acetohydrazide?
The canonical SMILES for N'-[2-(4-bromophenoxy)acetyl]-2-[3-(difluoromethoxy)phenyl]acetohydrazide is O=C(COc1ccc(Br)cc1)NNC(=O)Cc1cccc(OC(F)F)c1.
What is the InChIKey of N'-[2-(4-bromophenoxy)acetyl]-2-[3-(difluoromethoxy)phenyl]acetohydrazide?
The InChIKey is ZNWFBSNJJMPBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrF2N2O4/c18-12-4-6-13(7-5-12)25-10-16(24)22-21-15(23)9-11-2-1-3-14(8-11)26-17(19)20/h1-8,17H,9-10H2,(H,21,23)(H,22,24).
What are the key properties of N'-[2-(4-bromophenoxy)acetyl]-2-[3-(difluoromethoxy)phenyl]acetohydrazide?
N'-[2-(4-bromophenoxy)acetyl]-2-[3-(difluoromethoxy)phenyl]acetohydrazide has a molecular weight of 429.22 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-bromophenoxy)acetyl]-2-[3-(difluoromethoxy)phenyl]acetohydrazide is sourced from PubChem (CID 86897323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).